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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL201482
CHEMBL201482
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H41O5PS

Additional synonyms for CHEMBL201482 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCOC[C@H](COP(=S)(O)O)OCCCCCCCC
Standard InChI InChI=1S/C19H41O5PS/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20 ...
Download InChI
Standard InChI Key PLCCQSPJUXGEHV-LJQANCHMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL201482

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
412.6 412.2412 5.33 20 68.15 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 5 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.83 - 6.46 2.2 0 26 0.21

Structural Alerts

There are 13 structural alerts for CHEMBL201482. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PLCCQSPJUXGEHV-LJQANCHMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL201482



BindingDB 50176390
IBM Patent System 1DDF88B594D0B4BDBA5F77338AA28DA5
PubChem 11625765
PubChem: Thomson Pharma 16728797
SureChEMBL SCHEMBL14515951

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/PLCCQSPJUXGEHV-LJQANCHMSA-N spacer
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